Published June 3, 2026 | Version v0.1.2
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Lacuna: Cryptic Binding Pocket Discovery via Conformational Ensemble Analysis

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Description

Lacuna discovers cryptic binding pockets in proteins by generating a conformational ensemble, detecting pockets per conformer, clustering across the ensemble, and ranking by persistence and druggability. Validated on 20 cryptic-pocket targets (14/20, 70%), matching the CryptoSite benchmark. Supports RandomBackend (CPU, ~1–4 s/protein) and Boltz-2 partial diffusion for harder targets.

Notes

If you use Lacuna in your research, please cite it as below.

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mooreneural/lacuna-v0.1.2.zip

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